1,3,7-Octatriene, 3,7-dimethyl-
- Formula: C10H16
- Molecular weight: 136.2340
- IUPAC Standard InChI: InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,8H,1-2,6-7H2,3-4H3/b10-8+
- IUPAC Standard InChIKey: XJPBRODHZKDRCB-CSKARUKUSA-N
- CAS Registry Number: 502-99-8
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Stereoisomers:
- Other names: α-Ocimene; Ocimene; 2,6-Dimethyl-1,5,7-octatriene; (3E)-3,7-Dimethyl-1,3,7-octatriene; 3,7-Dimethylocta-1,3,7-triene; alpha-Ocimene; 3,7-Dimethyl-1,3,7-octatriene; (Z)-α-Ocimene; 1,3,7-Octatrienene,3,7-dimethyl-
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Kovats' RI, non-polar column, temperature ramp
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | HP-5MS | PTE-5 | DB-5 | OV-101 |
| Column length (m) | 60. | 60. | 30. | 50. |
| Carrier gas | He | H2 | He | N2 |
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.39 | 0.2 | |
| Tstart (C) | 40. | 60. | 60. | 80. |
| Tend (C) | 250. | 285. | 180. | 200. |
| Heat rate (K/min) | 3. | 4.3 | 2. | 2. |
| Initial hold (min) | 1. | |||
| Final hold (min) | 20. | 60. | ||
| I | 1050. | 1050. | 1052. | 1038. |
| Reference | Jalali-Heravi, Zekavat, et al., 2006 | Gudzic, Dordevic, et al., 2001 | Rao, Rout, et al., 2000 | Padrayuttawat, Tamura, et al., 1996 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Jalali-Heravi, Zekavat, et al., 2006
Jalali-Heravi, M.; Zekavat, B.; Sereshti, H.,
Characterization of essential oil components of Iranian geranium oil using gas chromatography-mass spectrometry combined with chemometric resolution techniques,
J. Chromatogr. A, 2006, 1114, 1, 154-163, https://doi.org/10.1016/j.chroma.2006.02.034
. [all data]
Gudzic, Dordevic, et al., 2001
Gudzic, B.; Dordevic, S.; Palic, R.; Stojanovic, G.,
Essential oils of Hypericum olympicum L. and Hypericum perforatum L.,
Flavour Fragr. J., 2001, 16, 3, 201-203, https://doi.org/10.1002/ffj.978
. [all data]
Rao, Rout, et al., 2000
Rao, Y.R.; Rout, P.K.; Jena, K.S.; Sahu, S.B.,
Composition of essential oil of citronella (Cymbopogon winterianus jowitt) grown in coastal Orissa,
Fafai J., 2000, 2, 4, 29-31. [all data]
Padrayuttawat, Tamura, et al., 1996
Padrayuttawat, A.; Tamura, H.; Yamao, M.,
A split injection system for the analysis of purge and trap headspace of the volatile components in Citrus sudachi,
J. Hi. Res. Chromatogr., 1996, 19, 6, 365-369, https://doi.org/10.1002/jhrc.1240190613
. [all data]
Notes
Go To: Top, Kovats' RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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